(5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid

C20H30O4 — CID 131888630

IUPAC(5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid
SMILESCC/C=C\C/C(=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO
InChIInChI=1S/C20H30O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h3-5,8-11,13,17,23H,2,6-7,12,14-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,13-3-,19-17+
InChIKeyLNLJYTQNJIOGBU-OOEDORSSSA-N
MW334.46 g/mol
LogP5.81
Rot. Bonds14

About (5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid

(5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid (PubChem CID 131888630) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid
PubChem CID131888630
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid
SMILESCC/C=C\C/C(=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO
InChIInChI=1S/C20H30O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h3-5,8-11,13,17,23H,2,6-7,12,14-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,13-3-,19-17+
InChIKeyLNLJYTQNJIOGBU-OOEDORSSSA-N
XLogP5.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

17-hydroperoxydocosa-7,16,19-trienoic acid
CID 76579495
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
12-hydroperoxyicosa-6,8,11,14-tetraenoic acid
CID 74329379
2-aminoacetic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
CID 42605524
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160
henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
(19Z,22Z,25Z,28Z,31Z)-tetratriaconta-19,22,25,28,31-pentaenoic acid
CID 14753668
(8Z,11Z,14Z,17Z,20Z,23Z,26Z,29Z)-dotriaconta-8,11,14,17,20,23,26,29-octaenoic acid
CID 165203838
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18,21-pentaenoic acid
CID 87220855

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid?
The IUPAC name of (5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid (CID 131888630) is (5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid.
What is the SMILES notation for (5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid?
The canonical SMILES for (5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid is CC/C=C\C/C(=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO.
What is the InChIKey of (5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid?
The InChIKey is LNLJYTQNJIOGBU-OOEDORSSSA-N. The full InChI is InChI=1S/C20H30O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h3-5,8-11,13,17,23H,2,6-7,12,14-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,13-3-,19-17+.
What are the key properties of (5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid?
(5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid has a molecular weight of 334.46 g/mol, XLogP of 5.81, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14E,17Z)-15-hydroperoxyicosa-5,8,11,14,17-pentaenoic acid is sourced from PubChem (CID 131888630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).